N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide

C17H14N4O3S4 — CID 55846875

IUPACN-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1nc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)sc1SCC#N
InChIInChI=1S/C17H14N4O3S4/c1-11-16(26-9-7-18)27-17(19-11)20-15(22)12-4-2-5-13(10-12)21-28(23,24)14-6-3-8-25-14/h2-6,8,10,21H,9H2,1H3,(H,19,20,22)
InChIKeySEQFROWCZSWHOC-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.18
Rot. Bonds7

About N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide

N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55846875) has the molecular formula C17H14N4O3S4 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55846875
Molecular FormulaC17H14N4O3S4
Molecular Weight450.59 g/mol
Exact Mass449.99
IUPAC NameN-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1nc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)sc1SCC#N
InChIInChI=1S/C17H14N4O3S4/c1-11-16(26-9-7-18)27-17(19-11)20-15(22)12-4-2-5-13(10-12)21-28(23,24)14-6-3-8-25-14/h2-6,8,10,21H,9H2,1H3,(H,19,20,22)
InChIKeySEQFROWCZSWHOC-UHFFFAOYSA-N
XLogP4.18
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55785400
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55793963
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 55847513
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
3-(thiophen-2-ylsulfonylamino)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78897587
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 55788445
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylthiophene-2-carboxamide
CID 60517848
N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55914376
N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55991234
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide
CID 56571363

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide (CID 55846875) is N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide is Cc1nc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)sc1SCC#N.
What is the InChIKey of N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is SEQFROWCZSWHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S4/c1-11-16(26-9-7-18)27-17(19-11)20-15(22)12-4-2-5-13(10-12)21-28(23,24)14-6-3-8-25-14/h2-6,8,10,21H,9H2,1H3,(H,19,20,22).
What are the key properties of N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide?
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 450.59 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55846875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).